SCHEMBL5726786

SCHEMBL5726786

Cc1ccc(-c2cc(Cl)c(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HSD17B2 P37059 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ACHE P22303 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5727655 0.96 NR1H2 (0.37) PTGESNR1H2NR1H3MEN1KMT2A
SCHEMBL5726494 0.92 HSD17B2 (0.40) NR1H2NR1H3KMT2AHSD17B2MAPT
SCHEMBL5727601 0.92 PTGES (0.39) PTGESNR1H2NR1H3GAAHSD17B2
SCHEMBL5728616 0.90 KDM4E (0.43) PTGESNR1H2NR1H3RXFP1MAPT
SCHEMBL5728382 0.90 NR1H2 (0.33) PTGESNR1H2NR1H3MEN1KMT2A
SCHEMBL5726599 0.87 MEN1 (0.37) MEN1KMT2ARXFP1TP53MAPT
SCHEMBL5728721 0.87 TDP2 (0.40) PTGESNR1H2NR1H3MAPTMAPK1
SCHEMBL8942725 0.85 NR1H2 (0.49) PTGESNR1H2NR1H3MEN1KMT2A
SCHEMBL5726912 0.84 NR1H2 (0.36) PTGESNR1H2NR1H3MEN1KMT2A
SCHEMBL5727482 0.83 TDP2 (0.32) PTGES

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425278-B1 INSECTICIDAL 3-(2,6-DISUBSTITUTED PHENYL)-5- 4- OR 5-ARYLTHIEN-2- OR -3-YL|-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2006-12-20 EP disclosed
US-7056940-B2 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2006-06-06 US disclosed
US-6949576-B2 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2005-09-27 US disclosed
US-20040171661-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles HEGDE VIDYADHAR BABU (US) 2004-09-02 US disclosed
US-6770665-B2 TRIAZOLE COMPOUNDS HAVING A 2,6-DISUBSTITUTED-PHENYL GROUP IN THE 3-POSITION, ARYLTHIEN-2- OR -3-YL IN THE 5-POSITION AND AN ALKYL GROUP IN THE 1-POSITION ARE EFFECTIVE IN CONTROLLING LEPIDOPTERA, COLEOPTERA, MITES AND OTHER SUCKING PESTS. DOW AGROSCIENCES LLC 2004-08-03 US disclosed
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles HEGDE VIDYADHAR BABU (US) 2004-04-15 US disclosed
US-20030134748-A1 Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC 2003-07-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040171661-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PTGES 2008/4885NR1H2 4351/4885NR1H3 4270/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PTGES 2070/4885NR1H2 4371/4885NR1H3 4250/4885
US-20030134748-A1 Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PTGES 2084/4885NR1H2 4335/4885NR1H3 4245/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.